5-azanyl-4-[3-[2-(azetidin-1-yl)ethanoylamino]phenyl]-1-tert-butyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-azanyl-4-[3-[2-(azetidin-1-yl)ethanoylamino]phenyl]-1-tert-butyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-4-[3-[[2-(azetidin-1-yl)acetyl]amino]phenyl]-1-tert-butyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-4-[3-[[2-(1-azetidinyl)-1-oxoethyl]amino]phenyl]-1-tert-butyl-2-(methylthio)-7aH-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 5-amino-4-[3-[[2-(azetidin-1-yl)acetyl]amino]phenyl]-1-tert-butyl-2-methylsulfanyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-4-[3-[[2-(azetidin-1-yl)acetyl]amino]phenyl]-1-tert-butyl-2-(methylthio)-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H30N6O2S2 MolecularWeight: 486.6533

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)NC(=O)CN4CCC4)C(=C(S2)C(=O)N)N

Isomeric SMILES

CC(C)(C)N1C2C(=C(N=C1SC)C3=CC(=CC=C3)NC(=O)CN4CCC4)C(=C(S2)C(=O)N)N

InChI

InChI=1S/C23H30N6O2S2/c1-23(2,3)29-21-16(17(24)19(33-21)20(25)31)18(27-22(29)32-4)13-7-5-8-14(11-13)26-15(30)12-28-9-6-10-28/h5,7-8,11,21H,6,9-10,12,24H2,1-4H3,(H2,25,31)(H,26,30)